SCHEMBL9544253

SCHEMBL9544253

CCCCCCCCCCCCCCCCCCSC[C@@H](N)C(=O)N[C@@H](CC(C)C)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 6/20 0.47
TLR2 O60603 4/20 0.47
CTSS P25774 2/20 0.44
CTSL P07711 1/20 0.44
CTSB P07858 1/20 0.44
MME P08473 1/20 0.44
ANPEP P15144 1/20 0.44
CAPN1 P07384 1/20 0.44
CAPN2 P17655 1/20 0.44
S1PR4 O95977 1/20 0.43
S1PR1 P21453 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9544832 0.88 CTSK (0.55) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL9544817 0.87 MEN1 (0.48) TLR2CTSSCTSLMMEANPEP
SCHEMBL9544145 0.84 CTSK (0.57) CTSKCTSSCTSLCTSBCAPN1
SCHEMBL11209394 0.83 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL27824395 0.83 CTSK (0.58) CTSKCTSSCTSLCTSBS1PR4
SCHEMBL9544814 0.82 MEN1 (0.57) TLR2MME
SCHEMBL22475577 0.81 LTA4H (0.57) CTSKCTSBMMECAPN1
SCHEMBL20881521 0.81 LTA4H (0.57) CTSKCTSBMMECAPN1
SCHEMBL11680813 0.81 LTA4H (0.57) CTSKCTSBMMECAPN1
SCHEMBL7119787 0.81 CTSK (0.56) CTSKCTSSCTSLCTSBS1PR4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993021211-A1 AMIDES HAVING INHIBITING ACTIVITY ON PHOSPHOLIPASE A2, A PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM LABORATORIOS MENARINI S.A. (ES) 1993-10-28 WO disclosed